SCHEMBL7840824

SCHEMBL7840824

O=C1OC(O)(c2ccccc2)C(Cc2ccc(OCc3ccccc3)cc2)=C1c1ccc2nsnc2c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 19/20 0.64
EDNRB P24530 15/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7831359 0.98 EDNRA (0.66) EDNRAEDNRB
SCHEMBL7830311 0.97 EDNRA (0.67) EDNRAEDNRB
SCHEMBL7840261 0.94 EDNRB (0.62) EDNRAEDNRB
SCHEMBL7831927 0.94 EDNRB (0.72) EDNRAEDNRB
SCHEMBL7841837 0.94 EDNRB (0.62) EDNRAEDNRB
SCHEMBL7832086 0.94 EDNRB (0.72) EDNRAEDNRB
SCHEMBL7840626 0.93 EDNRA (0.60) EDNRAEDNRB
SCHEMBL7838601 0.92 EDNRB (0.60) EDNRAEDNRB
SCHEMBL7840533 0.92 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7844633 0.92 EDNRB (0.60) EDNRAEDNRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882030-B1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GMBH (DE) 2001-09-12 EP disclosed
US-6017939-A 2,1,3-benzothia(OXA)diazole derivatives having an endothelin receptor antagonistic effect MERCK PATENT GESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0882030-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK PATENT GmbH (DE) 1998-12-09 EP disclosed
WO-1998042702-A1 ENDOTHELIN-RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-10-01 WO disclosed
WO-1997030982-A1 2,1,3-BENZOTHIA(OXA)DIAZOLE DERIVATIVES HAVING AN ENDOTHELIN RECEPTOR ANTAGONISTIC EFFECT MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-08-28 WO disclosed